N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide

C30H31N5O2 — CID 166627668

IUPACN-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide
SMILESCc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(C(NC(=O)CCc2ccccc2)C(C)C)o1
InChIInChI=1S/C30H31N5O2/c1-17(2)26(32-25(36)15-12-19-8-5-4-6-9-19)30-35-34-29(37-30)23-16-24-22-11-7-10-21(20-13-14-20)27(22)33-28(24)31-18(23)3/h4-11,16-17,20,26H,12-15H2,1-3H3,(H,31,33)(H,32,36)
InChIKeyYZHKJZDQIGUOAK-UHFFFAOYSA-N
MW493.61 g/mol
LogP6.40
Rot. Bonds8

About N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide

N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide (PubChem CID 166627668) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide
PubChem CID166627668
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC NameN-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide
SMILESCc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(C(NC(=O)CCc2ccccc2)C(C)C)o1
InChIInChI=1S/C30H31N5O2/c1-17(2)26(32-25(36)15-12-19-8-5-4-6-9-19)30-35-34-29(37-30)23-16-24-22-11-7-10-21(20-13-14-20)27(22)33-28(24)31-18(23)3/h4-11,16-17,20,26H,12-15H2,1-3H3,(H,31,33)(H,32,36)
InChIKeyYZHKJZDQIGUOAK-UHFFFAOYSA-N
XLogP6.40
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

(3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide
CID 162624763
5-(1H-indol-5-yl)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 77106364
3-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(1H-indol-5-yl)-2-pyridinamine
CID 77106960
Pdhk-IN-5
CID 163409149
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 166627513
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 166627865
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole
CID 166629404
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 166630793
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole
CID 166631152
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propyl-1,3,4-oxadiazole
CID 166632822
6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide
CID 66554729
4-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-5-carboxamide
CID 66555072

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide?
The IUPAC name of N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide (CID 166627668) is N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide is Cc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(C(NC(=O)CCc2ccccc2)C(C)C)o1.
What is the InChIKey of N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide?
The InChIKey is YZHKJZDQIGUOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-17(2)26(32-25(36)15-12-19-8-5-4-6-9-19)30-35-34-29(37-30)23-16-24-22-11-7-10-21(20-13-14-20)27(22)33-28(24)31-18(23)3/h4-11,16-17,20,26H,12-15H2,1-3H3,(H,31,33)(H,32,36).
What are the key properties of N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide?
N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide has a molecular weight of 493.61 g/mol, XLogP of 6.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide is sourced from PubChem (CID 166627668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).